Geometry & MOs

Info

ID:	213090
PubChem CID:	81062821
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	355.04192
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	3.26
IP(EA), eV:	-9.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations